ethyl 5-ethyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H27N3O3S/c1-3-17-14-18(21(26)27-4-2)20(28-17)22-19(25)15-23-10-12-24(13-11-23)16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,22,25)